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Chemical ID: 4121898
Chemical ID:
4121898
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CNC3
InChi [?]:
InChI=1/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,2,7,10,14,12,8,9,11,3,5,13,4,6/rA:14cCCCNCOCCCCCCNC/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.41547 |
Area: | 328.82 |
Solvation: | -1.80502 |
Coulombic: | -24.6338 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 190.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.25 |
LogP (Chemaxon): | 0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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